Mol:FL3FAAGS0015
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -4.5039 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5039 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7933 -1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0828 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0828 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7933 0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3722 -1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6617 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6617 0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3722 0.4247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3722 -2.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9514 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2273 0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4969 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4969 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2273 1.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9514 1.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2142 0.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7933 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2209 1.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5492 1.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8489 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8391 1.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4041 1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8335 2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2074 1.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 1.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2142 1.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7418 -0.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 20 22 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 24 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 30 31 32 M SBL 1 1 35 M SMT 1 COOH M SBV 1 35 -0.7751 0.0507 S SKP 5 ID FL3FAAGS0015 FORMULA C21H18O11 EXACTMASS 446.084911418 AVERAGEMASS 446.36102 SMILES C(C(Oc(c4)ccc(c4)C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)1)(O)C(O)C(C(C(O)=O)O1)O M END
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